(5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C22H25N3O2S — CID 8990688

About (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8990688) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 8990688
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CCc1ccccc1/N=C1/S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1C
• InChI: InChI=1S/C22H25N3O2S/c1-3-16-9-5-6-10-18(16)23-22-24(2)21(26)19(28-22)15-17-11-12-20(27-17)25-13-7-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3/b19-15+,23-22+
• InChIKey: XWXZRHSFODBXTM-WYXKWXERSA-N
• XLogP: 5.07
• TPSA: 49.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 8990688) is (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is CCc1ccccc1/N=C1/S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1C.

What is the InChIKey of (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is XWXZRHSFODBXTM-WYXKWXERSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-3-16-9-5-6-10-18(16)23-22-24(2)21(26)19(28-22)15-17-11-12-20(27-17)25-13-7-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3/b19-15+,23-22+.

What are the key properties of (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

(5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 395.53 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8990688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).